Furfuryl 2-methyl-3-furyl disulfide

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  • Identifiers

    CAS number
    109537-55-5

    Molecular formula
    C10H10O2S2

    SMILES
    CC1=C(C=CO1)SSCC2=CC=CO2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 84.87%
    Sulfurous 81.01%
    Roasted 76.98%
    Coffee 60.55%
    Savory 55.27%
    Beefy 51.09%
    Onion 47.43%
    Cooked 45.6%
    Burnt 41.71%
    Garlic 37.66%

     

    Flavor
    Sulfury 77.68%
    Meaty 74.22%
    Roasted 74.12%
    Coffee 70.68%
    Onion 64.12%
    Burnt 41.86%
    Roast 40.94%
    Cooked 40.41%
    Cabbage 38.83%
    Chicken 37.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    4.53 (weak acid)

    Molecular weight
    226.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    328°C

    Flash point

    • 132.65 ˚C est.

    Solubility expt.

    • Slightly soluble in water; Soluble in pentane, diethyl ether
    • Soluble (in ethanol)

  • Synonyms

    • furfuryl 2-methyl-3-furyl disulfide
    • 109537-55-5
    • 3-(furan-2-ylmethyldisulfanyl)-2-methylfuran
    • 3-(Furfuryldithio)-2-ethylfuran
    • (2-Methyl-3-furyl)furfuryl disulfide
    • 3-(2-Furanylmethyl)dithio)-2-methylfuran
    • 46QOP2L549
    • 2-Methyl-3-((2-furanylmethyl)-dithio)furan
    • 3-((Furan-2-ylmethyl)disulfanyl)-2-methylfuran
    • 1-Ethyltridecyl 2-furoate
    • 2-Furancarboxylic acid, 3-pentadecyl ester
    • Furfuryl 2-methyl-3-furyl disulfide [FIFH]
    • DTXSID40148975
    • 2-furfuryl 2-methyl-3-furyl disulfide
    • (2-methyl-3-furanyl) (2-furfuryl) disulfide
    • FURFURYL (2-METHYL-3-FURYL) DISULFIDE
    • 3-[(furan-2-ylmethyl)disulfanyl]-2-methylfuran
    • FURFURYL 2-METHYL-3-FURYL DISULFIDE [FHFI]
    • 3-[2-Furanylmethyl)dithio]-2-methylfuran
    • 2-Methyl-3-[(2-furanylmethyl)-dithio]furan
    • Furfuryl 2-methyl-3-furyl disulfide (FIFH)
    • Furan,3-[(2-furanylmethyl)dithio]-2-methyl-
    • UNII-46QOP2L549
    • 3-(FURFURYLDITHIO)-2-METHYLFURAN
    • DTXCID5071466
    • SCHEMBL18339053
    • CHEBI:172107
    • furfuryl-(2-methyl-3-furyl)disulfid
    • (2-Methylfuryl-3) furfuryl disulfide
    • 2-methyl-3-(2-furanylmethyldithio)furan
    • 2-methyl-3-furyl 2-furylmethyl disulphide
    • 2-Methyl-3-[(2-furyl-methyl)dithio]furan
    • 3-(uran-2-ylmethyldisulanyl)-2-methyluran
    • DB-251981
    • EN300-1719052
    • 3-{[(furan-2-yl)methyl]disulfanyl}-2-methylfuran
    • Q27258952

  • Applications

    Furfuryl 2-methyl-3-furyl disulfide (CAS 109537-55-5) is primarily used as a fragrance ingredient and may be evaluated for aroma applications in perfumery; it can also be considered for flavor/aroma formulations in the food and beverage industry, albeit with formulation and regulatory considerations. In cosmetics and personal care, it may serve as an odor component. In household products, it can be employed as a fragrance additive in cleaners and air fresheners. Industrially, it may function as an intermediate in the synthesis of sulfur-containing compounds and as a processing aid or disulfide-exchange component in polymer formulations. In coatings and inks, it may be used as a fragrance additive or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.7
    methanol 68.56
    isopropanol 57.01
    water 0.17
    ethyl acetate 275.38
    n-propanol 66.49
    acetone 496.55
    n-butanol 57.21
    acetonitrile 262.54
    DMF 883.15
    toluene 234.94
    isobutanol 55.82
    1,4-dioxane 1112.87
    methyl acetate 409.94
    THF 761.54
    2-butanone 388.56
    n-pentanol 58.19
    sec-butanol 70.29
    n-hexane 6.55
    ethylene glycol 57.49
    NMP 666.74
    cyclohexane 30.67
    DMSO 1118.49
    n-butyl acetate 146.03
    n-octanol 38.52
    chloroform 938.84
    n-propyl acetate 153.39
    acetic acid 137.77
    dichloromethane 932.5
    cyclohexanone 517.73
    propylene glycol 70.88
    isopropyl acetate 164.25
    DMAc 1083.61
    2-ethoxyethanol 316.81
    isopentanol 62.02
    n-heptane 9.02
    ethyl formate 153.12
    1,2-dichloroethane 565.69
    n-hexanol 55.41
    2-methoxyethanol 425.74
    isobutyl acetate 112.13
    tetrachloromethane 81.39
    n-pentyl acetate 87.88
    transcutol 1186.88
    n-heptanol 30.76
    ethylbenzene 80.03
    MIBK 145.09
    2-propoxyethanol 227.06
    tert-butanol 96.06
    MTBE 183.96
    2-butoxyethanol 110.23
    propionic acid 110.69
    o-xylene 125.76
    formic acid 57.94
    diethyl ether 194.56
    m-xylene 108.15
    p-xylene 104.57
    chlorobenzene 295.51
    dimethyl carbonate 230.26
    n-octane 4.49
    formamide 168.72
    cyclopentanone 587.01
    2-pentanone 215.53
    anisole 379.42
    cyclopentyl methyl ether 320.71
    gamma-butyrolactone 558.84
    1-methoxy-2-propanol 285.48
    pyridine 659.65
    3-pentanone 264.83
    furfural 736.49
    n-dodecane 5.92
    diethylene glycol 261.61
    diisopropyl ether 63.53
    tert-amyl alcohol 97.82
    acetylacetone 495.77
    n-hexadecane 7.13
    acetophenone 292.6
    methyl propionate 297.66
    isopentyl acetate 154.36
    trichloroethylene 1170.42
    n-nonanol 40.84
    cyclohexanol 120.29
    benzyl alcohol 194.27
    2-ethylhexanol 53.64
    isooctanol 31.68
    dipropyl ether 94.82
    1,2-dichlorobenzene 284.47
    ethyl lactate 98.25
    propylene carbonate 254.84
    n-methylformamide 252.16
    2-pentanol 48.38
    n-pentane 6.34
    1-propoxy-2-propanol 164.4
    1-methoxy-2-propyl acetate 283.62
    2-(2-methoxypropoxy) propanol 242.23
    mesitylene 67.52
    ε-caprolactone 365.22
    p-cymene 55.55
    epichlorohydrin 891.9
    1,1,1-trichloroethane 447.98
    2-aminoethanol 77.64
    morpholine-4-carbaldehyde 1076.51
    sulfolane 793.03
    2,2,4-trimethylpentane 9.61
    2-methyltetrahydrofuran 444.01
    n-hexyl acetate 126.44
    isooctane 6.32
    2-(2-butoxyethoxy)ethanol 290.53
    sec-butyl acetate 128.33
    tert-butyl acetate 208.57
    decalin 20.42
    glycerin 157.39
    diglyme 645.4
    acrylic acid 137.32
    isopropyl myristate 68.07
    n-butyric acid 113.47
    acetyl acetate 244.41
    di(2-ethylhexyl) phthalate 77.63
    ethyl propionate 158.99
    nitromethane 649.78
    1,2-diethoxyethane 362.72
    benzonitrile 250.2
    trioctyl phosphate 42.55
    1-bromopropane 178.06
    gamma-valerolactone 969.57
    n-decanol 33.36
    triethyl phosphate 101.28
    4-methyl-2-pentanol 37.85
    propionitrile 153.37
    vinylene carbonate 293.44
    1,1,2-trichlorotrifluoroethane 650.68
    DMS 257.9
    cumene 53.35
    2-octanol 25.15
    2-hexanone 165.1
    octyl acetate 80.43
    limonene 83.5
    1,2-dimethoxyethane 608.64
    ethyl orthosilicate 93.63
    tributyl phosphate 65.1
    diacetone alcohol 210.45
    N,N-dimethylaniline 200.03
    acrylonitrile 241.41
    aniline 246.01
    1,3-propanediol 107.4
    bromobenzene 351.61
    dibromomethane 458.86
    1,1,2,2-tetrachloroethane 857.39
    2-methyl-cyclohexyl acetate 143.46
    tetrabutyl urea 97.27
    diisobutyl methanol 40.36
    2-phenylethanol 138.79
    styrene 127.82
    dioctyl adipate 120.87
    dimethyl sulfate 471.19
    ethyl butyrate 131.34
    methyl lactate 169.23
    butyl lactate 85.54
    diethyl carbonate 115.46
    propanediol butyl ether 126.83
    triethyl orthoformate 120.63
    p-tert-butyltoluene 54.62
    methyl 4-tert-butylbenzoate 177.79
    morpholine 878.43
    tert-butylamine 54.15
    n-dodecanol 28.88
    dimethoxymethane 570.09
    ethylene carbonate 226.76
    cyrene 275.66
    2-ethoxyethyl acetate 243.42
    2-ethylhexyl acetate 134.97
    1,2,4-trichlorobenzene 388.94
    4-methylpyridine 470.87
    dibutyl ether 89.94
    2,6-dimethyl-4-heptanol 40.36
    DEF 342.02
    dimethyl isosorbide 396.47
    tetrachloroethylene 425.3
    eugenol 173.69
    triacetin 267.29
    span 80 146.02
    1,4-butanediol 58.76
    1,1-dichloroethane 400.04
    2-methyl-1-pentanol 65.56
    methyl formate 244.31
    2-methyl-1-butanol 63.46
    n-decane 8.17
    butyronitrile 113.45
    3,7-dimethyl-1-octanol 55.78
    1-chlorooctane 41.18
    1-chlorotetradecane 23.38
    n-nonane 7.02
    undecane 6.74
    tert-butylcyclohexane 15.24
    cyclooctane 10.78
    cyclopentanol 126.74
    tetrahydropyran 479.55
    tert-amyl methyl ether 162.05
    2,5,8-trioxanonane 483.77
    1-hexene 28.42
    2-isopropoxyethanol 205.29
    2,2,2-trifluoroethanol 101.53
    methyl butyrate 180.01

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction